Geometry & MOs

Info

ID:

380799

PubChem CID:

134971363

Reduced:

NF3O10H32C42 (1)

Stoich.:

AB3C10D32E42 (1)

Weight, g/mol:

413.179815

ΔHf, kcal/mol:

-401.32

Dipole, Da:

8.37

IP(EA), eV:

 -9.63(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (4S)-4-[4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC2[C@@H](C(C([C@@H](O2)OC(=NC3=CC=CC=C3)C(F)(F)F)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations